A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells
文献类型：期刊论文
| 作者 | Tian, Hai-Yan1; Yuan, Xiao-Feng1; Jin, Lu1; Li, Juan1; Luo, Cheng2 ; Ye, Wen-Cai1; Jiang, Ren-Wang1
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| 刊名 | CHEMICO-BIOLOGICAL INTERACTIONS
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| 出版日期 | 2014-01-25 |
| 卷号 | 207页码:16-22 |
| 关键词 | Androgen receptor Antagonist Bufadienolide Molecular docking Na+/K+ ATPase |
| ISSN号 | 0009-2797 |
| DOI | 10.1016/j.cbi.2013.10.020 |
| 文献子类 | Article |
| 英文摘要 | Molecular docking studies have shown that Delta(8,14)-anhydrobufalin (1) exhibited more potent binding affinity on androgen receptor (AR) than.Delta(14,15)-anhydrobufalin (2) and bufalin (3). To validate the docking results, compounds 1 and 2 were synthesized. The AR competitive binding assay indicated that the IC50 values of 1-3 were 1.9, >50 and >50 mu M (relative binding affinity), respectively, which confirmed that our theoretical binding mode was reliable and predictable. Furthermore, compound 1 was found to show more potent inhibitory activity against the androgen dependent LNCaP cancer cells than the androgen independent PO cancer cells, but exhibited less inhibition on the Na+/K+ ATPase as compared with the parent compound 3. To the best of our knowledge, compound 1 represented the first AR antagonist derived from bufadienolide discovered through a series of combined approaches of molecular docking and actual experimental validation. (C) 2013 Elsevier Ireland Ltd. All rights reserved. |
| WOS关键词 | LIGAND-BINDING DOMAIN ; MOLECULAR-DYNAMICS ; GROWTH ; DIHYDROTESTOSTERONE ; RESISTANCE ; PROTEINS ; THERAPY ; ATPASE |
| 资助项目 | Guangdong High Level Talent Scheme[00000000] ; Fundamental Research Funds for the Central Universities[11612603] ; National Natural Science Foundation of China[81102518] ; National Natural Science Foundation of China[20110490915] |
| WOS研究方向 | Biochemistry & Molecular Biology ; Pharmacology & Pharmacy ; Toxicology |
| 语种 | 英语 |
| WOS记录号 | WOS:000330260700003 |
| 出版者 | ELSEVIER IRELAND LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/277219]  |
| 专题 | 药物发现与设计中心 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Ye, Wen-Cai |
| 作者单位 | 1.Jinan Univ, Coll Pharm, Inst Tradit Chinese Med & Nat Prod, Guangzhou 510632, Guangdong, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Tian, Hai-Yan,Yuan, Xiao-Feng,Jin, Lu,et al. A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells[J]. CHEMICO-BIOLOGICAL INTERACTIONS,2014,207:16-22. |
| APA | Tian, Hai-Yan.,Yuan, Xiao-Feng.,Jin, Lu.,Li, Juan.,Luo, Cheng.,...&Jiang, Ren-Wang.(2014).A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells.CHEMICO-BIOLOGICAL INTERACTIONS,207,16-22. |
| MLA | Tian, Hai-Yan,et al."A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells".CHEMICO-BIOLOGICAL INTERACTIONS 207(2014):16-22. |
入库方式： OAI收割
来源：上海药物研究所
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